2-chloranyl-4,4-dimethyl-2-(4-methylsulfonylphenyl)carbonyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-chloranyl-4,4-dimethyl-2-(4-methylsulfonylphenyl)carbonyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-chloro-4,4-dimethyl-2-(4-methylsulfonylbenzoyl)-3-oxo-pentanenitrile CAS Name: 2-chloro-4,4-dimethyl-2-[(4-methylsulfonylphenyl)-oxomethyl]-3-oxopentanenitrile IUPAC Name: 2-chloro-4,4-dimethyl-2-(4-methylsulfonylbenzoyl)-3-oxopentanenitrile Traditional Name: 2-chloro-3-keto-2-(4-mesylbenzoyl)-4,4-dimethyl-valeronitrile Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C#N)(C(=O)C1=CC=C(C=C1)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C)C(=O)C(C#N)(C(=O)C1=CC=C(C=C1)S(=O)(=O)C)Cl

InChI

InChI=1S/C15H16ClNO4S/c1-14(2,3)13(19)15(16,9-17)12(18)10-5-7-11(8-6-10)22(4,20)21/h5-8H,1-4H3